N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide

C14H14ClNO2S — CID 592973

IUPACN-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide
SMILESCc1cc(Cl)ccc1OCCNC(=O)c1cccs1
InChIInChI=1S/C14H14ClNO2S/c1-10-9-11(15)4-5-12(10)18-7-6-16-14(17)13-3-2-8-19-13/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyRULQUKFOBAPKKR-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.52
Rot. Bonds5

About N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide

N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide (PubChem CID 592973) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide
PubChem CID592973
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC NameN-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide
SMILESCc1cc(Cl)ccc1OCCNC(=O)c1cccs1
InChIInChI=1S/C14H14ClNO2S/c1-10-9-11(15)4-5-12(10)18-7-6-16-14(17)13-3-2-8-19-13/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyRULQUKFOBAPKKR-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide (CID 592973) is N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide is Cc1cc(Cl)ccc1OCCNC(=O)c1cccs1.
What is the InChIKey of N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide?
The InChIKey is RULQUKFOBAPKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-10-9-11(15)4-5-12(10)18-7-6-16-14(17)13-3-2-8-19-13/h2-5,8-9H,6-7H2,1H3,(H,16,17).
What are the key properties of N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide?
N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide has a molecular weight of 295.79 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 592973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).